<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">103403</id>
  <title nil="true"/>
  <common-name>7-Hydroxy</common-name>
  <description>7-Hydroxy belongs to the trifluoromethylbenzenes, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C16H11ClF6N2O2 and an average molecular weight of 412.72 g/mol.</description>
  <cas>856699-69-9</cas>
  <pubchem-id>87667694</pubchem-id>
  <chemical-formula>C16H11ClF6N2O2</chemical-formula>
  <weight>412.71</weight>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-04-05T10:32:57Z</created-at>
  <updated-at type="dateTime">2026-08-28T16:19:55Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>OC(CNC(=O)C1=C(C=CC=C1)C(F)(F)F)C1=C(Cl)C=C(C=N1)C(F)(F)F</moldb-smiles>
  <moldb-formula>C16H11ClF6N2O2</moldb-formula>
  <moldb-inchi>InChI=1S/C16H11ClF6N2O2/c17-11-5-8(15(18,19)20)6-24-13(11)12(26)7-25-14(27)9-3-1-2-4-10(9)16(21,22)23/h1-6,12,26H,7H2,(H,25,27)</moldb-inchi>
  <moldb-inchikey>LZWQFTDQXOXRHG-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">412.72</moldb-average-mass>
  <moldb-mono-mass type="decimal">412.0413246</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.4</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM099296</chemdb-id>
  <dsstox-id>DTXSID901009387</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00067439</susdat-id>
  <iupac>N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-hydroxyethyl]-2-(trifluoromethyl)benzamide</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>Trifluoromethylbenzenes</subklass>
  <paper-count type="integer">8746</paper-count>
  <sync-id>CED0003369</sync-id>
  <structure-inchikey>LZWQFTDQXOXRHG-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>400000000020000000008000000020000000000000000000041000001000000002000000000000002000000000020030000000001000000000000000020000000000002020004000000000020000000000200000000000000000000000000000000000000140000000000000001000000000100000000000000000000000000000000000000000208000000000000000800000000001000000000000000800000000000004002000000020000800000000400000010c0000000000000000000100000000000000000000000000000000000010000000000000800200000000000000000000000000000040000000000402c00000000000000100000200000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAbAAAAHAAAAIABCABgAAAAAQEGAGAAAAAD
AQYAYAAAAAICBwBoAAAAAwIBBgAoAAAAAwQIACgAAAADAgZAKAAAAAMEBkAo
AAAAAwQGQGgAAAADAwEGQGgAAAADAwEGQGgAAAADAwEGQGgAAAADAwEGACAA
AAAECQAgAAAAAQkAIAAAAAEJACAAAAABBkAoAAAAAwQGQCgAAAADBBEAIAAA
AAEGQGgAAAADAwEGQCgAAAADBAZAaAAAAAMDAQdAKAAAAAMDBgAgAAAABAkA
IAAAAAEJACAAAAABCQAgAAAAAQsAAQABAgACAwADBCAEBSgCBAYgBgdoDAcI
aAwICWgMCQpoDAoLaAwHDAAMDQAMDgAMDwABEAAQEWgMERIAERNoDBMUaAwU
FWgMFRZoDBQXABcYABcZABcaAAsGaAwWEGgMQgIAAAAGBwgJCgsGBhETFBUW
EBcEAAAAAAAAABY=
</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:40:57Z</structure-indexed-at>
</compound>
